[3-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-3,8-diazaspiro[4.5]decan-8-yl]-(2-methylsulfanylpyridin-3-yl)methanone

Systemtic Name: [3-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-3,8-diazaspiro[4.5]decan-8-yl]-(2-methylsulfanylpyridin-3-yl)methanone Openeye Name: [3-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-3,8-diazaspiro[4.5]decan-8-yl]-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: [3-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-3,8-diazaspiro[4.5]decan-8-yl]-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: [3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,8-diazaspiro[4.5]decan-8-yl]-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: [3-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-3,8-diazaspiro[4.5]decan-8-yl]-[2-(methylthio)-3-pyridyl]methanone Formula: C21H28ClN5OS MolecularWeight: 433.99792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCC3(C2)CCN(CC3)C(=O)C4=C(N=CC=C4)SC)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCC3(C2)CCN(CC3)C(=O)C4=C(N=CC=C4)SC)Cl)C

InChI

InChI=1S/C21H28ClN5OS/c1-15-17(18(22)25(2)24-15)13-26-10-6-21(14-26)7-11-27(12-8-21)20(28)16-5-4-9-23-19(16)29-3/h4-5,9H,6-8,10-14H2,1-3H3